2-methylpropyl N-(2-methoxyethyl)-N-methylcarbamate

C9H19NO3 — CID 167089831

IUPAC2-methylpropyl N-(2-methoxyethyl)-N-methylcarbamate
SMILESCOCCN(C)C(=O)OCC(C)C
InChIInChI=1S/C9H19NO3/c1-8(2)7-13-9(11)10(3)5-6-12-4/h8H,5-7H2,1-4H3
InChIKeyLVDPPGIEMWETKP-UHFFFAOYSA-N
MW189.25 g/mol
LogP1.36
Rot. Bonds5

About 2-methylpropyl N-(2-methoxyethyl)-N-methylcarbamate

2-methylpropyl N-(2-methoxyethyl)-N-methylcarbamate (PubChem CID 167089831) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is 2-methylpropyl N-(2-methoxyethyl)-N-methylcarbamate.

Molecular Properties

Compound Name2-methylpropyl N-(2-methoxyethyl)-N-methylcarbamate
PubChem CID167089831
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Name2-methylpropyl N-(2-methoxyethyl)-N-methylcarbamate
SMILESCOCCN(C)C(=O)OCC(C)C
InChIInChI=1S/C9H19NO3/c1-8(2)7-13-9(11)10(3)5-6-12-4/h8H,5-7H2,1-4H3
InChIKeyLVDPPGIEMWETKP-UHFFFAOYSA-N
XLogP1.36
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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(4-methoxypyrrolidin-2-yl)methyl N-(2-methoxyethyl)-N-methylcarbamate;2-methylpropane
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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-(2-methoxyethyl)-N-methylcarbamate?
The IUPAC name of 2-methylpropyl N-(2-methoxyethyl)-N-methylcarbamate (CID 167089831) is 2-methylpropyl N-(2-methoxyethyl)-N-methylcarbamate.
What is the SMILES notation for 2-methylpropyl N-(2-methoxyethyl)-N-methylcarbamate?
The canonical SMILES for 2-methylpropyl N-(2-methoxyethyl)-N-methylcarbamate is COCCN(C)C(=O)OCC(C)C.
What is the InChIKey of 2-methylpropyl N-(2-methoxyethyl)-N-methylcarbamate?
The InChIKey is LVDPPGIEMWETKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3/c1-8(2)7-13-9(11)10(3)5-6-12-4/h8H,5-7H2,1-4H3.
What are the key properties of 2-methylpropyl N-(2-methoxyethyl)-N-methylcarbamate?
2-methylpropyl N-(2-methoxyethyl)-N-methylcarbamate has a molecular weight of 189.25 g/mol, XLogP of 1.36, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-(2-methoxyethyl)-N-methylcarbamate is sourced from PubChem (CID 167089831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).